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Please be aware that this old REACH registration data factsheet is no longer maintained; it remains frozen as of 19th May 2023.

The new ECHA CHEM database has been released by ECHA, and it now contains all REACH registration data. There are more details on the transition of ECHA's published data to ECHA CHEM here.

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Reference substances

Reference substances

Currently viewing:
IUPAC name:
methyl 4-(octadecylcarbamoyl)benzoate

Inventory

EC number:
230-836-3
EC name:
Methyl N-octadecylterephthalamate
CAS number:
7333-86-0
CAS number:
7333-86-0
Synonyms
Names:
Benzoic acid, 4- (octadecylamino)carbonyl -, methyl ester
Benzoic acid, 4-[(octadecylamino)carbonyl]-, methyl ester
Identifier:
other: SMILES notation
CCCCCCCCCCCCCCCCCCNC(=O)C1=CC=C(C=C1)C(=O)OC

Molecular and structural information

Molecular formula:
C27H45NO3
Molecular weight:
431.651
SMILES notation:
CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)OC
InChl:
InChI=1/C27H45NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-28-26(29)24-19-21-25(22-20-24)27(30)31-2/h19-22H,3-18,23H2,1-2H3,(H,28,29)
Structural formula:
Chemical structure

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